NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5064 0.0000 0.0000 61.9437 33.4158 175.2273 3 E 4.3008 8.9204 125.5858 56.1370 30.1553 174.6460 4 I 4.2117 9.5283 129.8601 61.1438 38.8057 175.1779 5 R 4.5006 8.6043 125.1330 55.2594 31.9644 175.0585 6 L 4.8766 8.3670 123.1511 53.4516 43.0396 176.2445 7 R 4.2314 9.4539 126.4477 58.8336 30.3551 175.8461 8 H 4.8295 7.7242 111.5279 54.5188 32.5155 171.3186 9 V 4.1471 8.1336 118.8741 62.1539 31.2882 175.7399 10 V 3.9610 8.9374 129.7137 65.6977 32.0889 175.9328 11 S 4.6894 7.6471 112.3966 57.6940 66.4266 172.9921 12 C 4.9884 8.1716 120.4224 58.3524 33.5887 174.0064 13 S 4.3901 9.4661 121.9278 60.8518 63.5360 174.6391 14 S 4.5854 8.0229 110.7157 57.6689 64.8267 174.4990 15 Q 5.5622 8.3961 123.1515 55.4942 31.0809 173.4432 16 D 4.7237 8.4515 119.1243 53.2703 42.3883 176.5732 17 S 4.3072 8.5638 117.2729 60.8900 63.5775 175.5029 18 T 4.1857 8.0763 109.6450 63.8433 69.8882 175.5786 19 H 5.0468 8.1024 121.8861 53.0926 27.3891 174.1574 20 C 4.9708 7.6360 117.5391 56.2777 32.2583 175.4584 21 A 3.5274 9.6636 125.3131 55.9896 17.5690 180.4974 22 E 3.8913 8.2164 116.0352 61.2632 29.4362 181.3278 23 N 4.7458 8.0923 113.8319 55.6264 38.6551 176.3364 24 L 4.4583 7.8646 119.2608 55.5952 42.2047 177.7448 25 L 4.1782 7.6032 118.5687 56.7589 41.7659 177.6968 26 K 4.5728 7.7623 117.0836 54.2440 35.4772 177.0956 27 A 4.1748 8.6245 126.1795 54.7124 18.7283 178.9355 28 D 4.0255 8.0352 115.1034 57.7169 40.9172 178.3031 29 T 3.6385 7.3400 114.3262 64.6617 68.5449 175.2694 30 Y 3.9829 6.9748 115.9369 58.8579 35.8894 169.3231 31 R 4.7390 7.3369 118.1624 54.6097 32.3069 175.8754 32 K 4.9576 8.4315 119.6086 54.6349 35.8413 174.5955 33 W 5.3759 8.9117 132.0813 56.0069 32.9492 174.9319 34 R 4.6000 8.9933 124.8609 53.8102 33.5206 174.5409 35 A 4.1830 7.8103 122.3700 51.6953 18.9558 178.9979 36 A 4.3019 8.8600 123.9661 54.6257 18.7569 178.5084 37 K 4.6177 7.2114 112.8200 54.3037 36.3000 176.1921 38 A 4.1412 8.3213 124.1703 53.5583 18.8531 178.2988 39 G 3.9250 8.9543 108.5236 45.3693 0.0000 173.3290 40 E 4.2916 7.9261 119.5331 55.4680 29.9538 176.7665 41 K 4.3143 8.8228 124.6091 59.3621 33.1818 176.9751 42 T 5.5493 7.8020 107.3792 60.4764 71.9964 173.1454 43 I 4.8566 8.9628 115.1596 60.0502 41.7267 173.5353 44 S 5.3507 9.4271 116.6378 57.4324 66.3198 173.1131 45 V 4.6507 8.4230 117.0206 59.6691 36.3731 174.0705 46 V 4.5448 8.4975 124.5395 61.1915 33.6024 174.1941 47 L 4.9270 9.0083 128.3151 53.0641 44.4279 175.1581 48 Q 4.8041 8.9428 124.9491 54.7929 30.3582 175.1489 49 L 4.5834 8.6804 127.1704 54.5454 42.1572 177.2208 50 E 4.3107 8.7568 121.5714 58.9677 29.8776 177.2645 51 K 4.7362 7.7260 115.7053 54.6240 36.3260 175.8545 52 E 4.3990 8.6914 122.2151 56.6237 30.1461 175.5966 53 E 4.8143 9.6393 125.2491 55.0699 35.2321 173.6205 54 Q 4.9136 8.6471 122.5703 55.2938 30.9554 174.1588 55 I 4.8008 8.5472 127.1257 60.8297 37.8761 174.7646 56 H 4.7452 9.8146 127.7820 57.9300 31.1603 174.8814 57 S 5.0133 7.9437 110.4087 57.1096 66.3470 173.1387 58 V 4.8143 9.0337 123.7151 61.5283 34.7242 173.5214 59 D 5.4861 9.2813 128.3652 52.8648 43.3656 175.5009 60 I 4.3891 8.8405 123.3887 59.3703 40.7403 174.6504 61 G 3.4986 7.6676 115.3070 44.2128 0.0000 172.9389 62 N 4.6671 8.8164 125.8510 52.7465 40.9476 174.1476 63 D 4.6423 8.0323 115.4849 53.3799 41.0472 176.3274 64 G 4.1340 8.6997 106.6449 45.4794 0.0000 173.5212 65 S 4.1304 7.7837 115.2712 58.1104 63.9037 173.8347 66 A 4.3269 8.7828 125.0153 53.3211 20.4284 177.3679 67 F 5.5568 7.8837 112.0291 55.9011 43.8088 174.4963 68 V 4.9398 9.2282 120.7878 61.2894 35.1760 173.6840 69 E 5.0946 9.5870 127.9828 54.3184 33.3357 174.3083 70 V 4.8633 8.5357 125.3915 61.1813 34.4316 174.3086 71 L 5.2009 9.1783 127.4446 53.1623 45.3693 175.7667 72 V 4.5546 8.7095 114.3839 59.8479 35.4546 175.2812 73 G 3.9265 8.4663 109.5014 45.5037 0.0000 171.0842 74 S 5.5717 8.3283 113.6395 56.4556 64.7595 174.4934 75 S 4.2798 9.3119 119.3874 59.7697 63.4872 174.5375 76 A 4.0364 7.8353 125.6131 52.9480 18.4481 177.2816 77 G 3.7048 9.2259 111.2069 46.3233 0.0000 175.2938 78 G 3.8001 8.4135 109.9049 44.4327 0.0000 173.4783 79 A 4.3479 8.2556 121.5611 50.9356 19.6859 176.4150 80 G 4.0602 8.7924 112.5294 44.4620 0.0000 173.9575 81 E 3.9549 8.7660 117.6204 59.9533 29.3814 179.6030 82 Q 4.2709 8.0629 113.3215 56.4528 28.3867 176.1794 83 D 4.5929 7.7117 119.4057 55.2782 42.3117 176.2952 84 Y 4.2800 7.2616 117.6662 57.4151 38.4220 175.4241 85 E 4.2564 8.8681 126.1275 55.5376 31.4763 175.3572 86 V 4.0036 8.1917 125.4448 62.8670 32.0604 174.7762 87 L 4.3294 8.9373 130.1484 56.4861 43.8845 175.5053 88 L 4.9811 7.5537 123.3141 52.7060 43.7474 175.7803 89 V 4.0273 8.4323 126.2670 61.7255 32.3395 175.7677 90 T 4.0567 8.3985 118.0189 64.7267 68.7754 173.2711 91 S 4.9938 9.3857 122.9225 56.6391 66.1783 173.6140 92 S 4.9254 8.7780 118.2241 58.2519 62.7490 173.5714 93 F 4.7264 8.9771 122.4067 57.1464 41.1442 174.8935 94 M 4.6963 7.6803 116.7501 53.2236 35.1141 174.7346 95 S 4.3199 8.8567 121.6069 56.7382 65.8125 173.7214 96 P 3.4670 0.0000 0.0000 65.5413 30.9275 179.1389 97 S 4.0446 7.7441 113.2622 61.6241 62.7790 176.4918 98 E 3.9167 7.9816 121.1029 59.5346 28.9940 179.5024 99 S 4.0904 8.2876 114.1638 61.8345 62.9828 176.8058 100 R 4.0887 8.2811 120.2354 58.7039 29.9240 178.4558 101 S 4.5669 8.0875 111.8572 57.9175 63.6772 175.0775 102 G 3.8555 8.5703 110.7118 46.1425 0.0000 173.4299 103 S 4.3276 7.9574 114.8042 58.7308 64.2112 174.0582 104 N 4.1733 8.5976 120.4425 54.2373 35.6847 172.9319 105 P 4.4666 0.0000 0.0000 63.8576 33.1306 179.1128 106 N 5.0553 7.8937 115.0802 51.8884 39.9210 174.7300 107 R 4.0654 8.1222 120.9936 57.1457 31.0362 175.2785 108 V 5.0790 8.4845 125.6756 60.1877 33.6320 175.3200 109 R 4.4623 9.1769 122.9125 54.4487 33.8729 173.7350 110 M 4.8023 8.2229 122.8186 53.8726 34.4942 175.2114 111 F 4.6620 9.2835 124.2562 55.6992 42.3008 175.3880 112 G 4.3675 8.4741 114.0755 43.8922 0.0000 171.0045 113 P 4.3159 0.0000 0.0000 65.2689 31.3542 178.5719 114 D 4.3137 8.0577 116.4265 55.1138 39.7760 177.0769 115 K 4.3833 7.9309 117.5887 56.5796 32.8205 176.6051 116 L 4.6135 7.0770 118.7856 53.2724 43.0254 176.7480 117 V 3.8656 8.5979 115.4980 61.5422 31.9477 177.9206 118 R 4.1306 8.6511 123.1466 57.8859 29.9607 178.8641 119 A 4.0255 7.9492 119.9644 55.2356 18.7306 179.0376 120 A 4.4441 8.0615 118.6386 55.2878 18.4367 179.3454 121 A 4.2402 8.3136 118.0094 54.4667 18.4788 178.9514 122 E 4.1193 7.9558 117.8372 57.9317 29.9530 176.7263 123 K 4.2924 7.5197 117.6768 55.4381 33.9347 176.2751 124 R 4.7396 7.6705 119.3415 54.6859 32.2937 175.8678 125 W 5.4204 9.2103 121.5549 55.3978 34.4136 174.9469 126 D 4.9871 8.9240 116.1747 52.9855 41.3296 174.9042 127 R 5.1690 8.4514 118.4642 54.7234 34.4810 174.8273 128 V 4.5504 8.6186 121.2137 61.3069 35.1653 173.5061 129 K 4.7046 9.2144 130.0060 54.6874 34.4611 174.5748 130 I 4.8774 8.5922 128.7790 59.6066 39.7671 174.5757 131 V 4.8944 9.0839 127.8338 61.3378 33.7669 173.9497 132 C 5.4369 9.2170 125.5917 58.2024 31.1034 173.1520 133 S 5.0799 9.0055 118.2868 57.1628 66.6015 173.4342 134 Q 4.3934 8.4537 124.0434 54.7214 28.9772 172.3523 135 P 4.2917 0.0000 0.0000 63.2316 32.1654 176.6694 136 Y 4.5872 7.4966 114.6396 58.4630 38.5313 175.7078 137 S 4.5502 7.8039 113.7533 57.1713 65.2881 173.3834 138 K 4.5714 8.5754 125.4036 56.3747 32.4290 176.9323 139 D 4.5552 7.8030 121.3409 56.6728 40.9889 176.7694 140 S 4.7518 7.5709 112.4440 55.7441 66.9807 171.9758 141 P 4.3955 0.0000 0.0000 62.7799 31.8399 175.6501 142 F 5.0714 7.5604 114.7712 55.0691 41.9668 174.0449 143 G 3.6162 7.3538 110.1583 46.1768 0.0000 173.0253 144 L 4.7890 7.8762 123.3158 53.1224 45.2958 177.5069 145 S 4.4629 9.3862 117.5762 60.8009 63.2614 173.6467 146 F 5.1274 7.5091 112.4112 56.3677 41.1383 173.1031 147 V 4.7727 8.4056 117.7756 60.4816 34.2340 174.1014 148 R 4.5980 8.9434 123.2559 54.4063 33.4688 174.3749 149 F 5.3224 8.7520 122.2337 56.2266 41.8931 174.4810 150 H 5.5402 9.0158 118.6346 54.1205 32.6797 173.5051 151 S 5.5131 9.1510 117.4467 56.0598 64.6581 172.1291 152 P 4.2902 0.0000 0.0000 62.0938 31.9135 175.1459 153 P 4.3927 0.0000 0.0000 62.8954 31.3777 176.3586 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 P 0.00 4.51 0.00 2.13 2.07 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 3 E 8.92 4.30 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 4 I 9.53 4.21 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.83 0.95 0.00 0.00 5 R 8.60 4.50 0.00 1.88 1.85 0.00 3.11 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 6 L 8.37 4.88 0.00 1.66 1.58 1.10 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 R 9.45 4.23 0.00 1.80 2.14 0.00 3.30 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 8 H 7.72 4.83 0.00 3.17 3.32 0.00 5.50 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.13 4.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.78 0.00 0.00 10 V 8.94 3.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.83 0.00 0.00 11 S 7.65 4.69 0.00 3.85 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.17 4.99 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 9.47 4.39 0.00 3.90 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.02 4.59 0.00 3.84 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.40 5.56 0.00 2.42 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 16 D 8.45 4.72 0.00 2.80 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.56 4.31 0.00 4.01 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.08 4.19 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 19 H 8.10 5.05 0.00 3.27 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.64 4.97 0.00 3.34 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 9.66 3.53 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.22 3.89 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.98 0.00 23 N 8.09 4.75 0.00 3.04 3.08 0.00 0.00 6.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.86 4.46 0.00 1.64 1.76 0.88 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.60 4.18 0.00 1.61 1.74 0.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.76 4.57 0.00 1.73 1.59 0.00 1.63 0.00 0.00 1.95 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.40 7.81 27 A 8.62 4.17 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.04 4.03 0.00 2.53 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.34 3.64 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 30 Y 6.97 3.98 0.00 3.32 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.34 4.74 0.00 1.87 1.90 0.00 3.14 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 32 K 8.43 4.96 0.00 1.74 1.83 0.00 1.62 0.00 0.00 1.96 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.50 7.81 33 W 8.91 5.38 0.00 3.35 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.99 4.60 0.00 1.62 1.51 0.00 3.01 0.00 0.00 3.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.37 0.00 35 A 7.81 4.18 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.86 4.30 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.21 4.62 0.00 1.84 1.65 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.51 7.81 38 A 8.32 4.14 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.95 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.93 4.29 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 41 K 8.82 4.31 0.00 1.71 1.83 0.00 1.59 0.00 0.00 1.83 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.43 7.81 42 T 7.80 5.55 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 43 I 8.96 4.86 1.89 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.39 0.64 0.00 0.00 44 S 9.43 5.35 0.00 3.91 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.42 4.65 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 0.22 0.00 0.00 46 V 8.50 4.54 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.65 0.00 0.00 47 L 9.01 4.93 0.00 1.47 1.46 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.94 4.80 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 49 L 8.68 4.58 0.00 1.66 1.57 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.76 4.31 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 51 K 7.73 4.74 0.00 1.69 1.72 0.00 1.59 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.43 7.81 52 E 8.69 4.40 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 53 E 9.64 4.81 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 54 Q 8.65 4.91 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 55 I 8.55 4.80 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.84 1.19 0.00 0.00 56 H 9.81 4.75 0.00 3.20 3.56 0.00 5.95 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.94 5.01 0.00 4.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.03 4.81 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.17 0.00 0.00 59 D 9.28 5.49 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.84 4.39 2.33 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.61 0.58 0.00 0.00 61 G 7.67 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.82 4.67 0.00 2.89 2.91 0.00 0.00 6.27 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.03 4.64 0.00 2.82 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.70 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.78 4.13 0.00 3.96 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.78 4.33 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.88 5.56 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 9.23 4.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.36 0.00 0.00 69 E 9.59 5.09 0.00 1.99 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.33 0.00 70 V 8.54 4.86 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.00 0.00 0.00 71 L 9.18 5.20 0.00 1.47 1.65 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.71 4.55 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 -0.15 0.00 0.00 73 G 8.47 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.33 5.57 0.00 3.95 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 9.31 4.28 0.00 4.04 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.84 4.04 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 9.23 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.41 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.26 4.35 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.79 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.77 3.95 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 82 Q 8.06 4.27 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 83 D 7.71 4.59 0.00 2.65 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 7.26 4.28 0.00 3.02 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.87 4.26 0.00 1.77 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 86 V 8.19 4.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 87 L 8.94 4.33 0.00 1.64 1.67 0.98 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.55 4.98 0.00 1.65 1.39 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.43 4.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.92 0.00 0.00 90 T 8.40 4.06 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 91 S 9.39 4.99 0.00 3.87 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.78 4.93 0.00 4.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.98 4.73 0.00 2.83 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 M 7.68 4.70 0.00 1.86 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 95 S 8.86 4.32 0.00 3.92 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 3.47 0.00 1.85 1.52 0.00 3.28 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.80 0.00 97 S 7.74 4.04 0.00 3.79 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 7.98 3.92 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 99 S 8.29 4.09 0.00 4.01 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.28 4.09 0.00 1.96 1.99 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 101 S 8.09 4.57 0.00 4.02 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.57 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 7.96 4.33 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.60 4.17 0.00 2.81 2.84 0.00 0.00 7.05 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.47 0.00 2.07 2.08 0.00 3.56 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.32 0.00 106 N 7.89 5.06 0.00 2.61 2.85 0.00 0.00 7.20 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.12 4.07 0.00 1.94 1.96 0.00 3.32 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 108 V 8.48 5.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.08 0.00 0.00 109 R 9.18 4.46 0.00 1.56 1.06 0.00 2.56 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.21 0.00 110 M 8.22 4.80 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 111 F 9.28 4.66 0.00 3.15 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.47 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.32 0.00 2.17 2.05 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.66 0.00 114 D 8.06 4.31 0.00 2.81 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.93 4.38 0.00 2.00 2.12 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.46 7.81 116 L 7.08 4.61 0.00 1.55 1.76 1.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.60 3.87 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.02 0.00 0.00 118 R 8.65 4.13 0.00 1.89 2.01 0.00 3.16 0.00 0.00 3.37 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 119 A 7.95 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.06 4.44 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.31 4.24 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 7.96 4.12 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 123 K 7.52 4.29 0.00 1.05 1.11 0.00 1.92 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.30 1.54 7.81 124 R 7.67 4.74 0.00 1.45 1.72 0.00 3.09 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 125 W 9.21 5.42 0.00 3.15 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.92 4.99 0.00 2.67 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.45 5.17 0.00 1.88 2.00 0.00 3.30 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 128 V 8.62 4.55 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.38 0.00 0.00 129 K 9.21 4.70 0.00 0.95 1.21 0.00 0.64 0.00 0.00 1.08 0.00 0.00 2.66 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.08 1.03 7.81 130 I 8.59 4.88 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.13 1.02 0.00 0.00 131 V 9.08 4.89 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.89 0.00 0.00 132 C 9.22 5.44 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 9.01 5.08 0.00 3.88 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 8.45 4.39 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.93 0.00 0.00 0.00 0.00 0.00 1.92 2.32 0.00 135 P 0.00 4.29 0.00 1.43 1.82 0.00 3.04 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 136 Y 7.50 4.59 0.00 3.06 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 S 7.80 4.55 0.00 3.82 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.58 4.57 0.00 1.77 1.79 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.41 7.81 139 D 7.80 4.56 0.00 2.63 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 7.57 4.75 0.00 3.82 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 4.40 0.00 1.96 2.04 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 142 F 7.56 5.07 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.35 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.88 4.79 0.00 1.78 1.54 1.01 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 145 S 9.39 4.46 0.00 4.05 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 7.51 5.13 0.00 3.20 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.41 4.77 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.57 0.00 0.00 148 R 8.94 4.60 0.00 1.95 1.78 0.00 3.17 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 149 F 8.75 5.32 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 H 9.02 5.54 0.00 3.18 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 S 9.15 5.51 0.00 3.88 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.29 0.00 1.98 2.07 0.00 3.73 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 153 P 0.00 4.39 0.00 2.01 1.93 0.00 3.61 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00